Pevonedistat HydrochlorideProduct ingredient for Pevonedistat
- Name
- Pevonedistat Hydrochloride
- Drug Entry
- Pevonedistat
Pevonedistat has been used in trials studying the treatment of Lymphoma, Solid Tumors, Multiple Myeloma, Hodgkin Lymphoma, and Metastatic Melanoma, among others.
- Accession Number
- DBSALT002067
- Structure
Structure for Pevonedistat Hydrochloride (DBSALT002067)
- Synonyms
- Not Available
- UNII
- 28I8PCX76B
- CAS Number
- 1160295-21-5
- Weight
- Average: 479.98
Monoisotopic: 479.1394032 - Chemical Formula
- C21H26ClN5O4S
- InChI Key
- HJKDNNXKYODZJI-BVMPOVDASA-N
- InChI
- InChI=1S/C21H25N5O4S.ClH/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18;/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25);1H/t14-,15+,18-,19-;/m0./s1
- IUPAC Name
- [(1S,2S,4R)-4-(4-{[(1S)-2,3-dihydro-1H-inden-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl]methyl sulfamate hydrochloride
- SMILES
- Cl.NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N1C=CC2=C(N[C@H]3CCC4=CC=CC=C34)N=CN=C12
- External Links
- ChemSpider
- 28189697
- ChEMBL
- CHEMBL2364622
- Predicted Properties
Property Value Source Water Solubility 0.136 mg/mL ALOGPS logP 2.18 ALOGPS logP 1.42 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 11.4 Chemaxon pKa (Strongest Basic) 6.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 132.36 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 117.23 m3·mol-1 Chemaxon Polarizability 46.53 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon